N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide

C13H14ClNO2S — CID 42957659

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)c2ccc(Cl)s2)o1
InChIInChI=1S/C13H14ClNO2S/c1-3-9-4-5-10(17-9)13(16)15-8(2)11-6-7-12(14)18-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyOSKWKZXJRXAHPV-UHFFFAOYSA-N
MW283.78 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide (PubChem CID 42957659) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide
PubChem CID42957659
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NC(C)c2ccc(Cl)s2)o1
InChIInChI=1S/C13H14ClNO2S/c1-3-9-4-5-10(17-9)13(16)15-8(2)11-6-7-12(14)18-11/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyOSKWKZXJRXAHPV-UHFFFAOYSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-ethylfuran-2-carboxamide
CID 71989468
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 47028971
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
CID 39271617
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 112575752
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 95158199
N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
CID 86930731
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86825465

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide (CID 42957659) is N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NC(C)c2ccc(Cl)s2)o1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide?
The InChIKey is OSKWKZXJRXAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-3-9-4-5-10(17-9)13(16)15-8(2)11-6-7-12(14)18-11/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide has a molecular weight of 283.78 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 42957659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).